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Compound Detail

CHEMBL4564347

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C/C1=C\[C@H]2OC(=O)[C@@H](C)C2CC/C(C)=C/CC1

Basic Information

ChEMBL ID CHEMBL4564347
Phase Preclinical
Structure Type MOL
InChI Key OVDMFKGCVWVONO-KQYDGSLVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.63
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O2
MW 234.34
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.09

Activity Summary

EC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 46
CHEMBL4523253
EC50 5.08 5.08 8300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 46 EC50 = 8300.0 nM 5.08 Activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R46 expresse... -

Data from ChEMBL 36 via Core Engine